Vitas-M small molecule compound
(2Z)-2-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-benzothiophen-3(2H)-one
Catalog ID
STL416348
SMILES C=CCc1cc(cc(c1O)OCC)/C=C/1\Sc2c(C1=O)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18O3S MW 338.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18O3S/c1-3-7-14-10-13(11-16(19(14)21)23-4-2)12-18-20(22)15-8-5-6-9-17(15)24-18/h3,5-6,8-12,21H,1,4,7H2,2H3/b18-12-InChIKey
FGCYSXWPYSMLLW-PDGQHHTCSA-NSynonyms
(2Z)2((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2Z)2(3ethoxy4hydroxy5(prop2en1yl)benzylidene)1benzothiophen3(2H)one
C=CCc1cc(cc(c1O)OCC)C=C1Sc2c(C1=O)cccc2
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)C3=CC=CC=C3S2
InChI=1SC20H18O3Sc137141013(1116(19(14)21)2342)121820(22)15856917(15)2418h35681221H147H22H3b1812
MFCD01929159
ZINC000015018675
ZINC15018675
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